SCHEMBL683707

SCHEMBL683707

COc1cccc(N2CCN(Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.43
HTR2A P28223 1/20 0.43
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ADORA1 P30542 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLA P06280 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL683669 0.89 MAPK1 (0.45) ADORA2BALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL682832 0.89 MAPT (0.49) ADORA2BMAPTMAPK1HTR2ATP53
SCHEMBL684068 0.85 ADORA2B (0.50) ADORA2BMAPK1HTR2ATP53RXFP1
SCHEMBL682822 0.85 RXFP1 (0.57) ADORA2BALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL684377 0.77 MAPK1 (0.47) ADORA2BALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL684375 0.77 ADORA2B (0.53) ADORA2BALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL684045 0.74 MAPT (0.50) ADORA2BALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL683664 0.74 MAPK1 (0.56) ADORA2BALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL684023 0.74 HTR2A (0.58) ADORA2BALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL684026 0.74 MAPK1 (0.49) ADORA2BALDH1A1KDM4EMAPTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ADORA2B 786/4885ALDH1A1 1565/4885SMN1; SMN2 907/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.